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CAS 554424-03-2 2-CHLORO-N-[2-[5-(2-CHLORO-BENZYLIDENE)-2,4-DIOXO-THIAZOLIDIN-3-YL]-ETHYL]-ACETAMIDE molecular structure lightbox
CAS RN: 554424-03-2

2-CHLORO-N-[2-[5-(2-CHLORO-BENZYLIDENE)-2,4-DIOXO-THIAZOLIDIN-3-YL]-ETHYL]-ACETAMIDE

  • Product code: SSC-163361
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 554424-03-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

554424-03-2 / 2-chloro-N-[2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide

Standard CAS: 554424-03-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
554424-03-2
Multi CAS
Yes
Molecular Formula
C14H12CL2N2O3S
Molecular Weight
359.200000
Exact Mass
357.994569
InChI
InChI=1S/C14H12Cl2N2O3S/c15-8-12(19)17-5-6-18-13(20)11(22-14(18)21)7-9-3-1-2-4-10(9)16/h1-4,7H,5-6,8H2,(H,17,19)/b11-7-
InChIKey
MMNJZTLOJQQFRT-XFFZJAGNSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.21
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
87.86
TPSA
66.48

LogP / Solubility

WLOGP
2.73
MLOGP
2.42
XLogP3
2.9
Consensus LogP
2.68
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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